(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C20H21ClN2O5S — CID 19258880

IUPAC(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H21ClN2O5S/c1-27-19-5-2-15(21)13-17(19)20(24)23-7-6-14-12-16(3-4-18(14)23)29(25,26)22-8-10-28-11-9-22/h2-5,12-13H,6-11H2,1H3
InChIKeyOOWZLLOTDZXDJU-UHFFFAOYSA-N
MW436.92 g/mol
LogP2.57
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 19258880) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID19258880
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C20H21ClN2O5S/c1-27-19-5-2-15(21)13-17(19)20(24)23-7-6-14-12-16(3-4-18(14)23)29(25,26)22-8-10-28-11-9-22/h2-5,12-13H,6-11H2,1H3
InChIKeyOOWZLLOTDZXDJU-UHFFFAOYSA-N
XLogP2.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435178
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258917
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 46820089
(3,5-dimethylpiperidin-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone
CID 51197836
1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone
CID 39137546
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 19258880) is (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OOWZLLOTDZXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-27-19-5-2-15(21)13-17(19)20(24)23-7-6-14-12-16(3-4-18(14)23)29(25,26)22-8-10-28-11-9-22/h2-5,12-13H,6-11H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 436.92 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 19258880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).